Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CLPP | Q16740 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16340469 | 0.87 | GAA (0.49) | GAAIDH1ALDH1A1MAPTMEN1 | |
| SCHEMBL11030454 | 0.79 | ACE (0.36) | IDH1BLMMMP13CYP1A2LMNA | |
| SCHEMBL11029036 | 0.79 | IDH1 (0.42) | GAAIDH1ALDH1A1MAPTCYP11B2 | |
| SCHEMBL11027623 | 0.79 | GAA (0.42) | GAAIDH1ALDH1A1MAPTMEN1 | |
| SCHEMBL11030775 | 0.77 | EPHB4 (0.49) | IDH1 | |
| SCHEMBL11029374 | 0.77 | KDM4E (0.43) | GAAIDH1ALDH1A1AURKAHDAC6 | |
| SCHEMBL11027622 | 0.77 | GAA (0.40) | GAAIDH1ALDH1A1HDAC6MMP1 | |
| SCHEMBL11029418 | 0.76 | IDH1 (0.44) | GAAIDH1ALDH1A1MAPTMMP13 | |
| SCHEMBL11030059 | 0.76 | GAA (0.39) | GAAIDH1ALDH1A1MAPTAURKA | |
| SCHEMBL11039120 | 0.76 | MAPK10 (0.47) | GAAIDH1MEN1KMT2AHDAC6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2742043-B1 | PYRIDO-PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2016-10-26 | — | — | EP | disclosed |
| US-9283225-B2 | Pyrido-pyrimidine derivatives | MERCK PATENT GMBH (DE) | 2016-03-15 | — | — | US | disclosed |
| US-20140228379-A1 | Pyrido-Pyrimidine Derivatives | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | US | disclosed |
| US-20140228379-A1 | Pyrido-Pyrimidine Derivatives | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | US | disclosed |
| US-8569295-B2 | Bicyclic urea compounds | MERCK PATENT GMBH (DE) | 2013-10-29 | — | — | US | disclosed |
| US-8569295-B2 | Bicyclic urea compounds | MERCK PATENT GMBH (DE) | 2013-10-29 | — | — | US | disclosed |
| US-8569295-B2 | Bicyclic urea compounds | MERCK PATENT GMBH (DE) | 2013-10-29 | — | — | US | disclosed |
| EP-2461869-B1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2013-08-21 | — | — | EP | disclosed |
| WO-2013022519-A1 | PYRIDO-PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2013-02-14 | — | — | WO | disclosed |
| US-20120190654-A1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2012-07-26 | — | — | US | disclosed |
| US-20120190654-A1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2012-07-26 | — | — | US | disclosed |
| US-20120190654-A1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2012-07-26 | — | — | US | disclosed |
| EP-2461869-A1 | NOVEL BICYCLIC UREA COMPOUNDS | Merck Patent GmbH (DE) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011017142-A1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2011-02-10 | — | — | WO | disclosed |
| WO-2011017142-A1 | NOVEL BICYCLIC UREA COMPOUNDS | MERCK PATENT GMBH (DE) | 2011-02-10 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120190654-A1 | NOVEL BICYCLIC UREA COMPOUNDS | CCNC, CCNI, CCNA1 | GAA 3502/4885IDH1 747/4885ALDH1A1 1372/4885 |
| US-20140228379-A1 | Pyrido-Pyrimidine Derivatives | DPYD, CDK2, CDK1 | GAA 4465/4885IDH1 87/4885ALDH1A1 1306/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.